ChemSpider 2D Image | 2-{1-[4-(Trifluoromethyl)-2-pyrimidinyl]-2-pyrrolidinyl}-1,3-benzothiazole | C16H13F3N4S

2-{1-[4-(Trifluoromethyl)-2-pyrimidinyl]-2-pyrrolidinyl}-1,3-benzothiazole

  • Molecular FormulaC16H13F3N4S
  • Average mass350.361 Da
  • Monoisotopic mass350.081299 Da
  • ChemSpider ID30051158

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-{1-[4-(Trifluormethyl)-2-pyrimidinyl]-2-pyrrolidinyl}-1,3-benzothiazol [German] [ACD/IUPAC Name]
2-{1-[4-(Trifluoromethyl)-2-pyrimidinyl]-2-pyrrolidinyl}-1,3-benzothiazole [ACD/IUPAC Name]
2-{1-[4-(Trifluorométhyl)-2-pyrimidinyl]-2-pyrrolidinyl}-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 2-[1-[4-(trifluoromethyl)-2-pyrimidinyl]-2-pyrrolidinyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 492.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.3±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 435.15
ACD/KOC (pH 5.5): 2693.57
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 435.20
ACD/KOC (pH 7.4): 2693.86
Polar Surface Area: 70 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 244.9±3.0 cm3

Click to predict properties on the Chemicalize site


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